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Home > Encyclopedia > Heptanal

Heptanal

pharmaceutical raw materials
Heptanal structure

Heptanal 

structure
  • CAS No:

    111-71-7

  • Formula:

    C7H14O

  • Chemical Name:

    Heptanal

  • Synonyms:

    Heptanal;Enanthal;Enanthaldehyde;Enanthole;Heptaldehyde;Heptyl aldehyde;Oenanthal;Oenanthaldehyde;Oenanthic aldehyde;Oenanthol;Enanthic aldehyde;n-Heptylaldehyde;n-Heptanal;n-Heptaldehyde;Heptanaldehyde;1-Heptaldehyde;NSC 2190

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

Liquid


Heptanal or heptanaldehyde is an alkyl aldehyde. It is a colourless liquid with a strong fruity odor, which is used as precursor to components in perfumes and lubricants.


N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Flash point near 141°F. Used to make perfumes and pharmaceuticals.|Liquid|colourless to slightly yellow liquid/penetrating, oily odour


N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Flash point near 141°F. Used to make perfumes and pharmaceuticals.|Heptanal is an n-alkanal resulting from the oxidation of the alcoholic hydroxy group of heptan-1-ol to the corresponding aldehyde. An endogenous aldehyde coming from membrane lipid oxidation, it is found in the blood of lung cancer patients and has been regarded as a potential biomarker of lung cancer. It has a role as a biomarker. It is a saturated fatty aldehyde, a n-alkanal and a medium-chain fatty aldehyde.

Heptanal Basic Attributes

114.188

114.19

203-898-4

92N104S3HF

2190

3056

DTXSID0021597

Oily colorless liquid

2912190090

Characteristics

17.1

2.29 (est)

N-heptaldehyde appears as a colorless, oily liquid with a penetrating fruity odor. Insoluble in water and less dense than water. Hence floats on water. Flash point near 141°F. Used to make perfumes and pharmaceuticals.

0.82162 g/cm3 @ Temp: 15 °C

-43.3 °C

152.8 °C

48 deg C (closed cup)

1.405

H2O: insoluble

Flammables area

3.52 mm Hg at 25 deg C

3.9 (Air = 1)

FATTY, PUNGENT ODOR

FATTY TASTE

2.70e-04 atm-m3/mole|Henry's Law constant = 2.7X10-4 atm-cu m/mole at 25 °C

Surface tension against water at 30 deg : 14.41|Specific gravity: 0.83423 at 0 °C/4 °C; 0.82162 at 15 °C/4 °C; 0.80902 at 30 °C/4 °C|Hygroscopic|CONVERSION FACTORS: 1 MG/L= 215 PPM, 1 PPM= 4.6 MG/CU M|For more Other Experimental Properties (Complete) data for N-HEPTANAL (7 total), please visit the HSDB record page.

Flammable. Insoluble in water.

Aldehydes

N-HEPTALDEHYDE may undergo exothermic self-condensation or polymerization reactions in the presence of acids. May generate flammable and/or toxic gases with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Is readily oxidized to give heptanoic acid. Can react with air to give first peroxo acids, and ultimately heptanoic acid. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The presence of stabilizers (antioxidants) retards autoxidation. Incompatible with strong oxidizers, bases and reducing agents. (NTP, 1992)

Autoflammability: 250 °C at 1013 hPa

-1062.4 kcal/mol (liquid)

33.78 kJ/mol at 25 °C /from experimentally-derived coefficients/

Critical temperature = 603.00 deg K; Critical pressure = 2.8000X10+6 pascals

Safety Information

III

3

UN 3056 3/PG 3

1

R10;R38

S26-S36-S37-S16-S61-S60

MI6900000

Xi:Irritant;

Stable. May be light sensitive. Flammable - readily forms explosive mixtures with air. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.

P403 + P235

H226-H315

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Heptanal is a food additive permitted for direct addition to food for human consumption as a synthetic flavoring substance and adjuvant in accordance with the following conditions: 1) the quantity added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) when intended for use in or on food it is of appropriate food grade and is prepared and handled as a food ingredient.

European Chemicals Bureau; IUCLID Dataset, Heptanal (111-71-7) (2000). Available from the database query page: http://ecb.jrc.ec.europa.eu/ as of January 28, 2009.

UN 3056

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. (ERG, 2016)

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1711 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet). FIRE: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2016)

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2016)

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection. (ERG, 2016)

Flammable/combustible material; may be ignited by heat, sparks or flames.

Vapor may travel to a source of ignition and flash back. Container may explode in heat of fire. Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard.

/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Public Safety: CALL Emergency Response Telephone Number on Shipping Paper first. If Shipping Paper not available or no answer, refer to appropriate telephone number listed on the inside back cover. As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.|/GUIDE 129: FLAMMABLE LIQUIDS (Polar/Water-Miscible/Noxious)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.|For more DOT Emergency Guidelines (Complete) data for N-HEPTANAL (8 total), please visit the HSDB record page.

No person may /transport,/ offer or accept a hazardous material for transportation in commerce unless that person is registered in conformance ... and the hazardous material is properly classed, described, packaged, marked, labeled, and in condition for shipment as required or authorized by ... /the hazardous materials regulations (49 CFR 171-177)./|The International Air Transport Association (IATA) Dangerous Goods Regulations are published by the IATA Dangerous Goods Board pursuant to IATA Resolutions 618 and 619 and constitute a manual of industry carrier regulations to be followed by all IATA Member airlines when transporting hazardous materials.|The International Maritime Dangerous Goods Code lays down basic principles for transporting hazardous chemicals. Detailed recommendations for individual substances and a number of recommendations for good practice are included in the classes dealing with such substances. A general index of technical names has also been compiled. This index should always be consulted when attempting to locate the appropriate procedures to be used when shipping any substance or article.

... The halogenated aliphatic aldehydes, and the unsaturated aldehydes are particularly irritating. The mucus membranes of the nasal and oral passages and the upper respiratory tract are affected, ... . /Aldehydes/

In a comprehensive survey of wastewater from 4000 industrial and publicly owned treatment works (POTWs) sponsored by the Effluent Guidelines Division of the U.S. EPA, n-heptanal was identified in discharges of the following industrial category (positive occurrences, median concentration in ppb): leather tanning (1; 32.3), petroleum refining (1; 0.3), nonferrous metals (2; 16.0), organics and plastics (1; 191.5), inorganic chemicals (1; 9.7), gum and wood industries (1; 3.6), explosives (1; 1007.1), oil and gas extraction (1; 37.3), synfuels (2; 197.7)(1). n-Heptanal was identified in combined industrial municipal sewage(2). n-Heptanal was measured in the emissions of burnt wood at 419, 77, and 626 mg/kg of pine, oak, and eucalyptus, respectively, in the gas phase(3). n-Heptanal was detected but not quantified in the emissions of building materials with microbial growth(4). n-Heptanal was emitted from three day old floor coverings at rates of 6 and 21 ug/sq-hr for oiled parquet and waxed parquet, respectively(5). The emission rates at 28 days old were 2 and 3 ug/sq m-hr for the same floor coverings(5). n-Heptanal was detected in 8 of 44 furniture emission samples(6).|n-Heptanal, measured in percent of total emissions, was; roadway (0.38%), bus parking garage hot soak (0.41%), bus parking garage cold start (0.24%), motorcycle emissions (0.14%), petroleum refinery, (0.08%), lead smelter (0.37%), and cast iron factory emissions (0.73%) samples from Cairo, Egypt(1). n-Heptanal was found in highway tunnels in Tuscarora; light duty trucks emitted 0.179 mg/km traveled or 2.633 mg/L fuel used, heavy duty trucks emitted 0.034 mg/km traveled or 0.106 mg/L fuel used(2). n-Heptanal was measured in the emissions of medium duty diesel trucks at a rate of 3200 ug/km in the gas phase(3). n-Heptanal was measured in the emissions of gasoline powered motor vehicles at a rate of 120 ug/km and 7300 ug/km for catalyst equipped engines and non-catalyst equipped engines(4).|A study of chemicals produced in the reaction of ozone and new carpets covering the floor of a 20 cu m stainless steel room, was conducted using 3 typical commercial/residential carpets, 2 of nylon and one of a olefinic/nylon fibers(1). In all cases, C7 aldehydes (isomers not identified), were present within 27 hours after ozone (50 ppb) was introduced into the chamber. They where absent before the ozone was introduced. The concentration of C7 aldehydes at this time was 1.4-3.2 ppb. It was suggested that aldehydes were produced by a reaction of a fiber component and ozone. Low concentrations of C7 aldehydes often persisted after ozone was eliminated indicating that the carpet had adsorbed some of the previously-produced aldehyde and was slowly releasing it. The ozone concentrations in the chamber, 28-44 ppb, may be present in indoor air during photochemical smog episodes(1). /C7 Aldehydes/

SEDIMENT: n-Heptanal was found in sediment of active reed beds and in areas of former reed growth in Lake Constance, Germany(1). There was no significant variation in the distribution of the chemical throughout the bed(1). n-Heptanal in the sediment is believed to microbial in origin(1).

URBAN/SUBURBAN: n-Heptanal was measured at 0.20-0.87, 0.14-0.30, 0.95-1.05, and 0.07-0.60 ppb in Rome, Milan, Taranto, and Montelibretti (suburban), Italy, respectively(1). n-Heptanal was detected at a mean of 0.15 ppb and a maximum of 3.00 ppb in The Netherlands in 1980(2). n-Heptanal was not detected (detection limit 0.08 ppbv) in samples taken at the top of an 11 story building on the campus of Hong Kong University Science and Technology(3). n-Heptanal was detected at 0.14 ppb in 4 of 13 Helsinki samples tested May to Sep 1997(4).|RURAL/REMOTE: n-Heptanal was detected at 0.21-2.08 ppb in Monti Cimini Forest (pine) with the peak concentration at 6 pm and at 0.12-1.31 ppb in Lido di Ostia (coastal woodland), both located in Italy(1). n-Heptanal was detected at 0.12-0.23 ppb in Storkow (forest area near Berlin), and was detected in Eggebirge forest(2) and the Black Forest, Germany(3).|INDOOR AIR: The concentration of n-heptanal in new or recently renovated homes in Switzerland was 504 ug/cu m(1). n-Heptanal was found at concentrations of 0.8-2.5 ppb in new manufactured and at 1.3-4.9 ppb in site-built houses(2). n-Heptanal was found in 14 of 15 indoor residences at an avg concentration of 0.42 ppb and 5 of 9 work places at an avg concentration of 0.19 ppb in Helsinki samples tested May to Sep 1997(3). n-Heptanal was detected but concentrations were not reported in the vehicles of 50 late shift patrol cars Aug 13 to Oct 11, 2001(4). n-Heptanal was detected in the air of 81% of 26 houses tested for the presence of organic compounds(5).|SOURCE DOMINATED: n-Heptanal was detected in kitchen exhaust at concentrations of 1.73-4.27 ppbv(1).

n-Heptanal was detected, not quantified in settled household dust samples collected from 12 houses in urban areas of central Finland(1).

Toxicity

LD50 Rat oral 14 g/kg|LD50 Mouse oral 20 g/kg|LD50 Mouse ip >0.5 g/kg /From table/

HEPTANAL IS CONSTITUENT OF ESSENTIAL OILS OF YLANG-YLANG, CLARY SAGE, CALIFORNIA LEMON, BITTER ORANGE, ROSE & HYACINTH.|n-Heptanal has been identified as a volatile in kiwi fruit flowers(1), pineapple guava(2), cassava(3), apricots(4), plums(4), and Bisbee delicious apples(5). n-Heptanal was emitted from rape during the blooming period(6) and by vegetation growing under the canopy in northern European forests(7). n-Heptanal was found in raw earth almonds (Cyperus esculentus L.)(8). Other sources of heptanal include microbes(9-10) and animal wastes(9), marine microorganisms, freshwater diatoms and chrysophytes, and autoxidation of unsaturated fatty acids(11).

n-Heptanal's production and use in the manufacture of 1-heptanol, in organic synthesis, perfumery, pharmaceuticals, and in flavoring agents(1) may result in its release to the environment through various waste streams(SRC).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 86(SRC), determined from a water solubility of 1250 mg/L(2) and a regression-derived equation(3), indicates that n-heptanal is expected to have high mobility in soil(SRC). Volatilization of n-heptanal from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 2.7X10-4 atm-cu m/mole(4). n-Heptanal is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.52 mm Hg(5). A theoretical BOD of 14.7% in 1 day using an activated sludge(6) indicates that biodegradation may be an important environmental fate process in soil(SRC).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 86(SRC), determined from a water solubility of 1,250 mg/L(2) and a regression-derived equation(3), indicates that n-heptanal is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 2.7X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 7 hrs and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 11(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). In a groundwater recharge project, CA, 70% of theoretical COD of n-heptanal was removed(6), indicating that biodegradation may be an important environmental fate process in water(SRC). n-Heptanal is easily oxidized(7) and may be oxidized by oxygen and other oxidants present in natural water(SRC).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), n-heptanal, which has a vapor pressure of 3.52 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase n-heptanal is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 13 hrs(SRC), calculated from its rate constant of 3.0X10-11 cu cm/molecule-sec at 25 °C(3). n-Heptanal contains chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).

The rate constant for the vapor-phase reaction of n-heptanal with photochemically-produced hydroxyl radicals has been measured as 3.0X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 13 hrs at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). n-Heptanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). n-Heptanal contains chromophores that absorb at wavelengths >290 nm(2) and therefore may be susceptible to direct photolysis by sunlight(SRC).|Aldehydes are readily oxidized to carboxylic acids(1-2). The oxidation is so facile that atmospheric oxygen will result in contamination with the corresponding carboxylic acid during storage(1). Transition metal salts catalyze n-heptanal's oxidation(2). The autooxidation may be thermally- or photochemically-initiated(3). The initial oxidation is a free radical chain reaction producing a peroxycarboxylic acid, which then reacts with another aldehyde molecule to yield two carboxylic acid molecules as a final product(1,3). The ease of oxidation of aldehydes is due, in part, to the high reactivity of the peroxy radicals formed in this reaction(3).

An estimated BCF of 11 was calculated in fish for n-heptanal(SRC), using a water solubility of 1,250 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).

The Koc of n-heptanal is estimated as 86(SRC), using a water solubility of 1250 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-heptanal is expected to have high mobility in soil.

The Henry's Law constant for heptanal is 2.7X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that n-heptanal is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 7 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5 days(SRC). n-Heptanal's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). n-Heptanal is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 3.52 mm Hg(3).

DRINKING WATER: n-Heptanal was identified in drinking water(1). The source of the water was not reported. n-Heptanal was identified as an ozone disinfection by-product in drinking water samples from a pilot plant in Jefferson Parish, LA which uses Mississippi River as the raw water source; samples were collected following 4 rounds of ozonation treatment performed in January, 1994, August 1994, May 1995, and September 1996(2). n-Heptanal was detected when using ozone as a water treatment but was not detected when using ozone with bromide, chloramination, chloramination with bromide, chlorine dioxide, chlorine dioxide with bromide, chlorine, and chlorine with bromide treatments(3).|SURFACE WATER: n-Heptanal was detected in coastal surface water of the Gulf of Mexico at trace to 2 ng/L levels(1). The site was subject to anthropogenic influences. n-Heptanal was also found in seawater in Vinyard Sound, MA, 2.5-61 ng/L with a mean of 13 ng/L(2,3) and in coastal water off of Peru(4). At the former site, the levels rose from a few ng/L found year round to about 20 ng/L in winter as the chlorophyll A levels peaked(3). At the latter site, the concentration of n-heptanal declined markedly with depth(4). A cluster analysis suggests that sources and sinks of n-heptanal are complex(2). n-Heptanal was detected, but not quantified in the Glatt River, Switzerland(5).|GROUNDWATER: n-Heptanal concentrations in groundwater polluted by industrial contaminants near Barcelona, Spain ranged from not detected to 110 ng/L(1).|RAIN/SNOW: n-C6 to n-C10 aldehydes were found to be the most prominent volatiles in 2 samples of rainwater collected near Vineyard Sound, MA(1). /Aldehydes/

n-Heptanal is a plant volatile that has been identified in roasted filberts(1), peanut oil(2), baked potato(3), and ginger oil(4). The concentration of n-heptanal in various sweet corn products were: caned/cream, 6 ppm; canned/kernel, 4 ppm; frozen/kernel, <5 ppm(5). The concentration of heptanal in orange juice was <0.6-3.8 ppb(6). n-Heptanal was found in popcorn using a dry extraction method at 16 ug/kg(7). Commercial rice cakes were found to contain 5 ppb of heptanal(8). n-Heptanal was found in roasted earth almonds (Cyperus esculentus L.)(9). n-Heptanal was detected in the emissions from heated rapeseed oil(10).|n-Heptanal is found in animal products, having been identified in raw beef(1), fried bacon(2), fried chicken(3), duck(4), clams(5), and a French mountain cheese(6). n-Heptanal was measured at 1820 ng/g, and 843 ng/g in big eyed herring paste and hair tail viscera paste, respectively and was not detected in anchovy paste and shrimp paste(7). n-Heptanal was found in full fat and reduced fat frankfurters(8), and Italian-type dry-cured ham(9). n-Heptanal was released from charbroiling meat at 125,000 ug/kg of cooked meat(10).|REPORTED USES: NON-ALCOHOLIC BEVERAGES, 4.9 PPM; ALCOHOLIC BEVERAGES, 4.0 PPM; ICE CREAM, ICES, ETC, 1.2 PPM; CANDY, 2.0 PPM; BAKED GOODS, 2.6 PPM.

ENVIRONMENTAL: A study of organic chemicals in mother's milk was conducted in 4 urban areas in the US, sites selected in the vicinity of chemical manufacturing plants and/or industrial user facilities that had a high probability of pollutant detection(1). Of the eight samples interpreted, 2 from each area, n-heptanal was present in all samples from Bayonne NJ, Jersey City NJ, Pittsburgh PA, and Baton Rouge LA(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 42,935 workers (9290 of these were female) were potentially exposed to n-heptanal in the US(1). Occupational exposure to n-heptanal may occur through inhalation and dermal contact with this compound at workplaces where n-heptanal is produced or used. Monitoring and use data indicate that the general population may be exposed to n-heptanal via inhalation of ambient air, ingestion of food and drinking water, and dermal contact with products containing n-heptanal(SRC).|n-Heptanal was found in 9 of 15 personal air samples at a mean concentration of 0.33 ppb from samples taken in Helsinki, Finland, tested May to September 1997(1).

A study of organic chemicals in mother's milk was conducted in 4 urban areas in the US, sites selected in the vicinity of chemical manufacturing plants and/or industrial user facilities that had a high probability of pollutant detection(1). Of the eight samples interpreted, 2 from each area, n-heptanal was present in all samples from Bayonne NJ, Jersey City NJ, Pittsburgh PA, and Baton Rouge LA(1). Aldehydes are believed to be metabolites(1). In EPA's National Human Adipose Tissue Survey (NHATS) for 1982, all 46 composite samples analyzed contained n-heptanal: in all 12 samples for 0-14, in all 17 samples for 15-44, and in all 17 samples for 45 and over years of age(2).|ENVIRONMENTAL: A study of organic chemicals in mother's milk was conducted in 4 urban areas in the US, sites selected in the vicinity of chemical manufacturing plants and/or industrial user facilities that had a high probability of pollutant detection(1). Of the eight samples interpreted, 2 from each area, n-heptanal was present in all samples from Bayonne NJ, Jersey City NJ, Pittsburgh PA, and Baton Rouge LA(1).

Drug Information

Aldehydes are readily oxidized to organic acids, which, in turn, can serve as substrates for fatty acid oxidation pathways and the Krebs cycle. ... Oxidation of aldehydes is catalyzed by aldehyde dehydrogenase, which has been found in the brain, erythrocytes, liver, kidney, heart, and placenta. /Aldehydes/|... The detoxification of aldehydes can be seen to proceed basically via two routes: (1) an oxidation to yield readily metabolized acids; (2) inactivation by reaction with sulfhydryl groups, particularly glutathione. Under conditions that either deplete glutathione levels, or that result in an inhibition of aldehyde dehydrogenase (for example, Antabuse treatment), the acute and chronic effects of aldehyde toxicity might be more fully expressed. /Aldehydes/|Heptanal and nonanal are identified from in vitro studies as potential biomarkers of exposure to ozone the former resulting from ozonation of palmitoleic acid and the latter from oleic acid. These molecules also are present in the lung lavage of Sprague-Dawley rats exposed to 1.3 ppm ozone for 10 hr. Aldehydes may be useful dosimeters for ozone and indicate that unsaturated fatty acids in the lung lining fluid layer undergo ozonation in vivo.|Heptanal is oxidized to pimelic or heptanoic acid, then CO2 and water.

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aldehydes and Related Compounds/|/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Aggressive airway management may be necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Anticipate seizures and treat if necessary ... . Monitor for shock and treat if necessary ... . Monitor for pulmonary edema and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Aldehydes and Related Compounds/|/SRP:/ Advanced treatment: Consider Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Intubation should be considered at the first sign of upper airway obstruction caused by edema. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Aldehydes and Related Compounds/

/SIGNS AND SYMPTOMS/ ... The halogenated aliphatic aldehydes, and the unsaturated aldehydes are particularly irritating. The mucus membranes of the nasal and oral passages and the upper respiratory tract are affected, producing a burning sensation, an increased ventilation rate, bronchial constriction, choking, and coughing. The eyes tear, and a burning sensation is noted on the skin of the face. During low exposures, the initial discomfort may abate after 5 to 10 minutes but will recur if exposure is resumed after an interruption. /Aldehydes/

heptanal

Heptanal Use and Manufacturing

Methods of Manufacturing

Obtained by distilling castor oil under reduced pressure; ... catalytic dehydration of ricinoleic acid methyl ester yields heptanal as cleavage product in almost quantitative yield.|PYROLYSIS OF CASTOR OIL TO N-HEPTANAL & UNDECYLENIC ACIDS; REACTION OF 1-HEXENE WITH CARBON MONOXIDE & HYDROGEN IN PRESENCE OF A RHODIUM CATALYST (OXO PROCESS)|Pyrolytic cleavage of ricinoleic acid.|Hydroformylation of 1-hexene in the presence of modified rhodium catalysts.|For more Methods of Manufacturing (Complete) data for N-HEPTANAL (6 total), please visit the HSDB record page.

Uses

Intermediates


Air care products

Production

50,000,000 - 100,000,000 lb|Heptanal is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).|Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5637]

All other basic organic chemical manufacturing|Heptanal: ACTIVE|Flavor useful in: citrus, vegetable flavors, melon.

Method: EPA-TSC/NERL 556; Procedure: gas chromatography with electron capture detector; Analyte: n-heptanal; Matrix: finished drinking water and raw source water; Detection Limit: 0.43 ug/L.|Method: EPA-OGWDW/TSC 556.1; Procedure: fast gas chromatography system equipped with an electron capture detector; Analyte: n-heptanal; Matrix: finished drinking water and raw source water; Detection Limit: 0.4 ug/L.|Method: NIOSH 2539; Procedure: gas chromatography, flame ionization detector and gas chromatography/mass spectrometry; Analyte: heptanal; Matrix: air; Detection Limit: 2 ug/sample.

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty aldehydes [FA06]

Flavoring Agents

Computed Properties

Molecular Weight:114.19
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:50.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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